4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine

C19H21N3O2 — CID 71460636

IUPAC4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
SMILESc1ccc2cc(-n3ccc(OCCN4CCOCC4)n3)ccc2c1
InChIInChI=1S/C19H21N3O2/c1-2-4-17-15-18(6-5-16(17)3-1)22-8-7-19(20-22)24-14-11-21-9-12-23-13-10-21/h1-8,15H,9-14H2
InChIKeyWCZLJWBBNSGTEU-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.74
Rot. Bonds5

About 4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine

4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine (PubChem CID 71460636) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
PubChem CID71460636
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
SMILESc1ccc2cc(-n3ccc(OCCN4CCOCC4)n3)ccc2c1
InChIInChI=1S/C19H21N3O2/c1-2-4-17-15-18(6-5-16(17)3-1)22-8-7-19(20-22)24-14-11-21-9-12-23-13-10-21/h1-8,15H,9-14H2
InChIKeyWCZLJWBBNSGTEU-UHFFFAOYSA-N
XLogP2.74
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine?
The IUPAC name of 4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine (CID 71460636) is 4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine.
What is the SMILES notation for 4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine?
The canonical SMILES for 4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine is c1ccc2cc(-n3ccc(OCCN4CCOCC4)n3)ccc2c1.
What is the InChIKey of 4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine?
The InChIKey is WCZLJWBBNSGTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-4-17-15-18(6-5-16(17)3-1)22-8-7-19(20-22)24-14-11-21-9-12-23-13-10-21/h1-8,15H,9-14H2.
What are the key properties of 4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine?
4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine has a molecular weight of 323.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine is sourced from PubChem (CID 71460636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).